ethyl 2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[3-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=CC=CC=C2S1)CC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=CC=CC=C2S1)CC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C21H20N2O4S2/c1-3-27-20(24)11-18-21(25)23(15-6-4-5-7-16(15)28-18)12-19-22-14-9-8-13(26-2)10-17(14)29-19/h4-10,18H,3,11-12H2,1-2H3